Information card for entry 2006376

Structure parameters

• Common name: N-Carboxy-dl-Phenylalanine Anhydride
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: O=C1OC(=O)C(N1)Cc1ccccc1
• Title of publication: <i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride
• Authors of publication: Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1154 - 1156
• a: 9.606 ± 0.002 Å
• b: 6.378 ± 0.002 Å
• c: 30.077 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1842.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.0838
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No